3-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethyloxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethyloxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]-2,2-dimethyl-propanoic acid Openeye Name: 3-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxy-2,2-dimethyl-propanoic acid CAS Name: 3-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)-2-pyrimidinyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-oxomethoxy]-2,2-dimethylpropanoic acid IUPAC Name: 3-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxy-2,2-dimethylpropanoic acid Traditional Name: 3-[(2R)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxy-2,2-dimethyl-propionic acid Formula: C32H32F9N5O6 MolecularWeight: 753.612009

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCC(C)(C)C(=O)O)C=CC(=N2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCO

Isomeric SMILES

CC[C@@H]1CC(C2=C(N1C(=O)OCC(C)(C)C(=O)O)C=CC(=N2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCO

InChI

InChI=1S/C32H32F9N5O6/c1-4-20-12-23(25-22(5-6-24(44-25)32(39,40)41)46(20)28(50)52-16-29(2,3)26(48)49)45(27-42-13-21(14-43-27)51-8-7-47)15-17-9-18(30(33,34)35)11-19(10-17)31(36,37)38/h5-6,9-11,13-14,20,23,47H,4,7-8,12,15-16H2,1-3H3,(H,48,49)/t20-,23?/m1/s1